data_6mpp_residue ############################ # Computer software used # ############################ 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 6mpp _Structure_validation_residue.Date_analyzed 2019-10-11 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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.7 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.5 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.4 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.453 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.4 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 33' ' ' PHE . 16.3 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.8 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.41 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.5 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.8 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.421 ' HB3' HD12 ' B' ' 2' ' ' LEU . 57.7 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.4 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.9 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.8 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.7 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 87.4 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 87.5 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.2 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.2 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.432 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 85.8 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.432 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.1 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 46.9 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 66.4 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' LYS . . . . . 0.595 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.3 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.56 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 210' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.2 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.1 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.6 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.6 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 90.3 mt . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.667 0.27 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . 0.421 HD12 ' HB3' ' A' ' 63' ' ' GLU . 98.4 mt -92.21 155.23 18.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 175.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 176.387 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.773 0.32 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -135.59 140.25 44.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 . . . . . 0 C--O 1.203 -1.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.283 177.943 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.1 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.4 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.4 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.4 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.453 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.8 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.6 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.419 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.7 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.423 ' HB3' HD12 ' B' ' 2' ' ' LEU . 90.6 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.9 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.466 ' HD3' ' HB2' ' A' ' 87' ' ' GLN . 0.4 OUTLIER -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.466 ' HB2' ' HD3' ' A' ' 82' ' ' ARG . 91.8 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.3 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.446 ' HB2' HG12 ' A' ' 124' ' ' ILE . 11.2 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.446 HG12 ' HB2' ' A' ' 116' ' ' ASP . 39.5 pt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 62.9 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.8 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.6 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.3 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.468 ' CZ2' ' CE3' ' A' ' 147' ' ' TRP . 82.9 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.8 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.41 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.3 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.41 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 9.5 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . 0.468 ' CE3' ' CZ2' ' A' ' 133' ' ' TRP . 13.0 m95 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.8 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.3 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . 0.421 ' HA3' HG13 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.7 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' LYS . . . . . 0.595 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.1 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.6 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.3 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.56 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 210' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 98.0 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.5 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.8 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' ILE . . . . . 0.421 HG13 ' HA3' ' A' ' 167' ' ' GLY . 18.2 mm . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.674 0.274 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 63' ' ' GLU . 83.3 mt -108.68 156.56 19.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.127 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 50.4 t0 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.33 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.772 0.32 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -90.21 136.05 33.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 . . . . . 0 C--O 1.202 -1.397 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.337 174.419 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.1 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.6 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.3 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.1 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.1 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.3 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.5 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.5 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.3 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.8 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.433 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.5 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 49' ' ' ALA . 16.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' OE2' ' CD1' ' A' ' 60' ' ' TRP . 7.6 tt0 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.426 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 48.4 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.454 ' CD1' ' OE2' ' A' ' 55' ' ' GLU . 7.2 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.7 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.437 ' HE2' ' HA ' ' A' ' 67' ' ' MET . 31.2 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 96.7 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.7 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.7 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 4.4 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.7 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.439 ' HB2' HG22 ' A' ' 124' ' ' ILE . 7.6 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.58 HD11 ' HB3' ' A' ' 133' ' ' TRP . 15.1 tt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.516 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.1 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.9 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.58 ' HB3' HD11 ' A' ' 124' ' ' ILE . 89.9 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.432 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 71.8 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.432 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.0 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 91.6 mtm-85 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' LYS . . . . . 0.594 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 79.7 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 55.8 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 41.8 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.56 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 210' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.8 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.4 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.6 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.5 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.1 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.751 0.31 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . 0.497 HD12 ' C ' ' B' ' 2' ' ' LEU . 2.2 pp -125.08 172.28 9.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.114 -174.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 28.4 t0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 -166.527 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.82 0.343 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -76.93 138.78 39.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.289 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 . . . . . 0 C--O 1.201 -1.458 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.269 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.5 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.9 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.9 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.0 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . 0.533 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.5 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.4 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.419 ' HE2' ' SD ' ' A' ' 67' ' ' MET . 20.7 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.5 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.442 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.442 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.6 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 61.2 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.0 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 40.9 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.76 ' HE2' ' HA ' ' A' ' 67' ' ' MET . 27.0 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 91.3 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.7 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.7 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 98.8 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.9 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.2 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.5 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.435 ' HB2' HG22 ' A' ' 124' ' ' ILE . 7.8 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.579 HD11 ' HB3' ' A' ' 133' ' ' TRP . 15.1 tt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.501 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.1 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.5 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.579 ' HB3' HD11 ' A' ' 124' ' ' ILE . 90.8 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.432 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 84.1 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.432 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.0 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.6 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.2 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.9 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.5 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' LYS . . . . . 0.596 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.2 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.1 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.3 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.5 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.2 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.561 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.3 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 210' ' ' PRO . . . . . 0.561 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.2 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.1 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.6 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 65.4 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 75.9 mt . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 120.725 0.298 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . 0.495 HD12 ' C ' ' B' ' 2' ' ' LEU . 3.9 pp -140.95 163.03 34.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 169.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 29.1 t0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -166.755 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.767 0.318 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -91.96 147.47 22.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 173.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 . . . . . 0 C--O 1.202 -1.442 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.299 -178.104 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.4 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' HIS . . . . . 0.492 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.1 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' PRO . . . . . 0.492 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 67.1 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 79.9 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.0 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.5 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.0 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.9 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.6 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.451 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.8 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.8 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.7 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 39.2 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' HB3' HD12 ' B' ' 2' ' ' LEU . 56.7 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.7 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.465 ' HD3' ' HB2' ' A' ' 87' ' ' GLN . 0.4 OUTLIER -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.465 ' HB2' ' HD3' ' A' ' 82' ' ' ARG . 91.8 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.6 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.8 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.4 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.472 ' HB2' HG12 ' A' ' 124' ' ' ILE . 7.8 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.472 HG12 ' HB2' ' A' ' 116' ' ' ASP . 27.8 pt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.4 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.0 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.8 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.545 ' CZ3' ' HB2' ' A' ' 126' ' ' LEU . 84.4 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.2 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.432 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.7 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.432 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 19.9 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.9 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . 0.428 ' HA3' HG13 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.8 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' LYS . . . . . 0.595 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.5 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.3 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.3 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.56 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 210' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 98.1 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.5 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 65.4 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' ILE . . . . . 0.606 HG22 ' O ' ' B' ' 1' ' ' ILE . 20.0 mm . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.738 0.304 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . 0.431 HD12 ' HB3' ' A' ' 63' ' ' GLU . 89.6 mt -91.41 157.29 17.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.431 . . . . 0.0 111.086 175.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 42.3 t0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 176.384 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.802 0.334 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -80.41 143.13 33.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.25 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 . . . . . 0 C--O 1.202 -1.428 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.32 177.479 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.0 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.6 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 66.3 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.5 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.2 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.5 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.4 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.454 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.8 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.1 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.1 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.432 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 18.6 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 49' ' ' ALA . 16.9 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' OE2' ' CD1' ' A' ' 60' ' ' TRP . 14.1 tt0 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.3 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.438 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 12.7 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.455 ' CD1' ' OE2' ' A' ' 55' ' ' GLU . 7.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.408 ' HB3' HD12 ' B' ' 2' ' ' LEU . 62.1 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.5 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.2 m -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.1 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.4 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 87.2 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 86.9 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.3 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.3 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.6 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.431 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 81.3 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.431 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.2 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.9 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . 0.429 ' HA3' HG13 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.6 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 68.2 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' LYS . . . . . 0.595 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.3 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.56 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 210' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' ILE . . . . . 0.647 HG22 ' O ' ' B' ' 1' ' ' ILE . 22.4 mm . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.739 0.304 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 63' ' ' GLU . 99.6 mt -92.65 156.85 16.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.163 173.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 39.2 t0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 174.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.798 0.333 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -86.57 138.15 31.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.222 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 . . . . . 0 C--O 1.202 -1.426 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.306 174.072 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.4 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.8 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.6 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.421 ' HE2' ' SD ' ' A' ' 67' ' ' MET . 29.1 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.4 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.0 p -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.1 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.9 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.422 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.4 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.569 ' HA ' ' HE2' ' A' ' 67' ' ' MET . 29.1 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.4 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 95.3 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.2 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 88.7 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.416 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 5.2 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.8 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.0 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 87.0 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.2 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.4 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.8 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.2 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.434 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 91.4 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.434 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 19.7 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.5 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' TYR . . . . . 0.403 ' OH ' ' HA ' ' B' ' 2' ' ' LEU . 58.2 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 44.4 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.3 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' LYS . . . . . 0.596 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 34.9 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.7 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 55.8 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.3 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.56 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 210' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 98.0 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.6 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.5 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.9 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.9 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.6 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 45.8 pt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.72 0.295 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . 0.508 ' C ' HD12 ' B' ' 2' ' ' LEU . 2.1 pp -126.43 173.72 9.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -171.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 59.4 t0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 -165.097 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.836 0.351 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -155.3 133.64 11.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.205 174.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 . . . . . 0 C--O 1.202 -1.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.307 179.058 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.0 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.4 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 66.3 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.8 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.3 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . 0.533 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.1 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.1 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.0 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.9 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.457 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.6 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 33' ' ' PHE . 16.3 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 28.3 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 22.0 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.524 ' HB3' HD12 ' B' ' 2' ' ' LEU . 67.0 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.7 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.6 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.1 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.8 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.6 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.7 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 91.1 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.464 ' HB2' HG12 ' A' ' 124' ' ' ILE . 9.2 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.464 HG12 ' HB2' ' A' ' 116' ' ' ASP . 32.9 pt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.547 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.4 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.8 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 41.8 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.547 ' CZ3' ' HB2' ' A' ' 126' ' ' LEU . 84.2 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.3 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 69.0 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.6 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' TYR . . . . . 0.578 ' OH ' ' O ' ' B' ' 1' ' ' ILE . 77.1 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.5 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . 0.414 ' HA3' HG12 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 66.4 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' LYS . . . . . 0.595 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.2 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.5 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.6 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.56 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 210' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.2 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.1 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 65.4 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.6 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' ILE . . . . . 0.578 ' O ' ' OH ' ' A' ' 159' ' ' TYR . 5.4 mm . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.713 0.292 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 63' ' ' GLU . 48.2 mt -100.12 139.84 35.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.135 166.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.0 t0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.123 -171.876 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.808 0.337 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -84.96 127.52 34.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.232 -175.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 . . . . . 0 C--O 1.202 -1.401 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.307 172.749 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.1 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.0 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.4 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 59.9 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.2 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 31.9 tpp -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.5 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.0 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 33' ' ' PHE . 16.1 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.7 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.3 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.6 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.9 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.1 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 86.8 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.4 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 86.9 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 63.5 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.2 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.4 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 126' ' ' LEU . 87.4 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 72.5 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 27.8 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 25.4 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.3 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' LYS . . . . . 0.595 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.4 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.56 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 210' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' ILE . . . . . 0.784 HG23 ' O ' ' B' ' 1' ' ' ILE . 19.8 tt . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.679 0.276 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.3 163.65 27.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.14 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 30.7 t0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 173.751 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.774 0.321 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -116.27 151.76 35.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.26 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 . . . . . 0 C--O 1.203 -1.394 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.336 -178.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' HIS . . . . . 0.492 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' PRO . . . . . 0.492 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 31.8 tpp -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.409 ' HE2' ' SD ' ' A' ' 67' ' ' MET . 20.6 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.2 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.4 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.443 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.9 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.443 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.7 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.2 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.74 ' HE2' ' HA ' ' A' ' 67' ' ' MET . 28.3 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.414 ' HE2' HD12 ' A' ' 97' ' ' ILE . 7.7 t-160 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.5 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.8 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.414 HD12 ' HE2' ' A' ' 70' ' ' HIS . 97.4 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.9 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.4 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.435 ' HB2' HG22 ' A' ' 124' ' ' ILE . 8.9 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.581 HD11 ' HB3' ' A' ' 133' ' ' TRP . 15.2 tt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.515 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.1 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.6 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.6 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.581 ' HB3' HD11 ' A' ' 124' ' ' ILE . 90.5 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.432 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 78.9 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.432 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.2 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.0 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.2 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.3 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' LYS . . . . . 0.596 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.1 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.4 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.56 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 210' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' ILE . . . . . 0.689 HG13 ' O ' ' B' ' 1' ' ' ILE . 49.1 pt . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.7 0.286 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . 0.578 ' O ' HD12 ' B' ' 2' ' ' LEU . 3.2 pp -56.95 162.62 2.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.007 0.432 . . . . 0.0 111.108 -177.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 49.1 p30 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -162.452 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.793 0.33 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -77.24 133.13 38.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.227 -176.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 . . . . . 0 C--O 1.203 -1.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.301 175.463 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.1 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.3 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.7 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.5 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.4 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.453 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.4 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 33' ' ' PHE . 16.3 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.8 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.41 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.5 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.8 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.421 ' HB3' HD12 ' B' ' 2' ' ' LEU . 57.7 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.4 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.9 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.8 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.7 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 87.4 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 87.5 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.2 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.2 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.432 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 85.8 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.432 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.1 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 46.9 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 66.4 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' LYS . . . . . 0.595 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.3 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.56 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.2 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.1 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.6 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.6 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 90.3 mt . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.667 0.27 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.421 HD12 ' HB3' ' A' ' 63' ' ' GLU . 98.4 mt -92.21 155.23 18.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 175.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -78.75 166.07 22.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 97.5 m -109.13 132.49 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.129 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.33 128.28 36.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -117.72 -104.08 2.25 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -90.02 42.74 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 111.231 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -78.61 65.65 3.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -173.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -135.59 140.25 44.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 . . . . . 0 C--O 1.203 -1.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.283 177.943 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.1 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.4 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.4 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.4 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.453 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.8 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.6 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.419 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.7 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.423 ' HB3' HD12 ' B' ' 2' ' ' LEU . 90.6 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.9 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.466 ' HD3' ' HB2' ' A' ' 87' ' ' GLN . 0.4 OUTLIER -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.466 ' HB2' ' HD3' ' A' ' 82' ' ' ARG . 91.8 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.3 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.446 ' HB2' HG12 ' A' ' 124' ' ' ILE . 11.2 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.446 HG12 ' HB2' ' A' ' 116' ' ' ASP . 39.5 pt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 62.9 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.8 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.6 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.3 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.468 ' CZ2' ' CE3' ' A' ' 147' ' ' TRP . 82.9 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.8 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.41 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.3 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.41 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 9.5 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . 0.468 ' CE3' ' CZ2' ' A' ' 133' ' ' TRP . 13.0 m95 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.8 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.3 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.421 ' HA3' HG13 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.7 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' LYS . . . . . 0.595 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.1 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.6 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.3 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.56 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 98.0 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.5 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.8 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ILE . . . . . 0.421 HG13 ' HA3' ' A' ' 167' ' ' GLY . 18.2 mm . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.674 0.274 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 63' ' ' GLU . 83.3 mt -108.68 156.56 19.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.127 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -84.34 113.13 20.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 87.3 m -56.7 130.52 45.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.095 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.18 127.52 32.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.18 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -125.09 -130.57 3.51 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -67.9 74.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 111.211 176.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -104.82 16.27 26.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 -173.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -90.21 136.05 33.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 . . . . . 0 C--O 1.202 -1.397 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.337 174.419 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.1 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.6 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.3 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.1 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.1 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.3 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.5 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.5 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.3 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.8 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.433 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.5 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 49' ' ' ALA . 16.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' OE2' ' CD1' ' A' ' 60' ' ' TRP . 7.6 tt0 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.426 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 48.4 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.454 ' CD1' ' OE2' ' A' ' 55' ' ' GLU . 7.2 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.7 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.437 ' HE2' ' HA ' ' A' ' 67' ' ' MET . 31.2 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 96.7 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.7 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.7 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 4.4 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.7 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.439 ' HB2' HG22 ' A' ' 124' ' ' ILE . 7.6 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.58 HD11 ' HB3' ' A' ' 133' ' ' TRP . 15.1 tt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.516 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.1 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.9 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.58 ' HB3' HD11 ' A' ' 124' ' ' ILE . 89.9 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.432 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 71.8 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.432 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.0 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 91.6 mtm-85 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' LYS . . . . . 0.594 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 79.7 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 55.8 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 41.8 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.56 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.8 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.4 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.6 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.5 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.1 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.751 0.31 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.497 HD12 ' C ' ' B' ' 2' ' ' LEU . 2.2 pp -125.08 172.28 9.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.114 -174.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -78.2 160.67 27.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 -166.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 53.1 p -89.15 170.42 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.122 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.85 126.24 29.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -130.5 -141.35 4.89 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -96.87 68.01 2.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.744 0.306 . . . . 0.0 111.199 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -100.62 11.21 39.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -76.93 138.78 39.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.289 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 . . . . . 0 C--O 1.201 -1.458 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.269 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.5 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.9 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.9 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.0 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . 0.533 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.5 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.4 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.419 ' HE2' ' SD ' ' A' ' 67' ' ' MET . 20.7 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.5 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.442 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.442 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.6 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 61.2 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.0 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 40.9 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.76 ' HE2' ' HA ' ' A' ' 67' ' ' MET . 27.0 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 91.3 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.7 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.7 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 98.8 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.9 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.2 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.5 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.435 ' HB2' HG22 ' A' ' 124' ' ' ILE . 7.8 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.579 HD11 ' HB3' ' A' ' 133' ' ' TRP . 15.1 tt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.501 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.1 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.5 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.579 ' HB3' HD11 ' A' ' 124' ' ' ILE . 90.8 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.432 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 84.1 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.432 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.0 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.6 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.2 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.9 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.5 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' LYS . . . . . 0.596 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.2 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.1 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.3 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.5 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.2 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.561 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.3 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' PRO . . . . . 0.561 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.2 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.1 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.6 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 65.4 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 75.9 mt . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 120.725 0.298 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.495 HD12 ' C ' ' B' ' 2' ' ' LEU . 3.9 pp -140.95 163.03 34.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 169.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -89.82 159.45 17.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -166.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 14.9 t -88.5 -168.17 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.22 -59.28 2.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 176.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.18 -127.48 29.86 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -103.01 84.23 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.2 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -140.17 44.16 1.9 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.228 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -91.96 147.47 22.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 173.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 . . . . . 0 C--O 1.202 -1.442 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.299 -178.104 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.4 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' HIS . . . . . 0.492 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.1 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' PRO . . . . . 0.492 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 67.1 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 79.9 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.0 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.5 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.0 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.9 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.6 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.451 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.8 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.8 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.7 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 39.2 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.431 ' HB3' HD12 ' B' ' 2' ' ' LEU . 56.7 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.7 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.465 ' HD3' ' HB2' ' A' ' 87' ' ' GLN . 0.4 OUTLIER -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.465 ' HB2' ' HD3' ' A' ' 82' ' ' ARG . 91.8 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.6 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.8 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.4 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.472 ' HB2' HG12 ' A' ' 124' ' ' ILE . 7.8 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.472 HG12 ' HB2' ' A' ' 116' ' ' ASP . 27.8 pt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.4 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.0 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.8 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.545 ' CZ3' ' HB2' ' A' ' 126' ' ' LEU . 84.4 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.2 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.432 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.7 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.432 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 19.9 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.9 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.428 ' HA3' HG13 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.8 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' LYS . . . . . 0.595 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.5 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.3 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.3 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.56 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 98.1 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.5 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 65.4 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ILE . . . . . 0.606 HG22 ' O ' ' B' ' 1' ' ' ILE . 20.0 mm . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.738 0.304 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.431 HD12 ' HB3' ' A' ' 63' ' ' GLU . 89.6 mt -91.41 157.29 17.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.431 . . . . 0.0 111.086 175.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -79.61 122.27 26.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 71.1 p -66.94 154.31 41.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.146 -174.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.77 131.25 47.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -176.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -131.08 -136.41 3.92 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -95.14 73.12 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 111.192 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -101.76 19.03 18.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.219 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -80.41 143.13 33.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.25 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 . . . . . 0 C--O 1.202 -1.428 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.32 177.479 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.0 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.6 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 66.3 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.5 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.2 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.5 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.4 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.454 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.8 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.1 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.1 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.432 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 18.6 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 49' ' ' ALA . 16.9 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' OE2' ' CD1' ' A' ' 60' ' ' TRP . 14.1 tt0 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.3 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.438 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 12.7 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.455 ' CD1' ' OE2' ' A' ' 55' ' ' GLU . 7.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.408 ' HB3' HD12 ' B' ' 2' ' ' LEU . 62.1 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.5 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.2 m -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.1 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.4 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 87.2 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 86.9 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.3 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.3 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.6 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.431 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 81.3 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.431 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.2 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.9 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.429 ' HA3' HG13 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.6 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 68.2 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' LYS . . . . . 0.595 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.3 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.56 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ILE . . . . . 0.647 HG22 ' O ' ' B' ' 1' ' ' ILE . 22.4 mm . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.739 0.304 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 63' ' ' GLU . 99.6 mt -92.65 156.85 16.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.163 173.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -74.26 158.2 34.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 78.6 p -88.25 166.76 14.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.129 -178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.63 88.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.72 -172.15 43.16 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -88.65 69.5 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 111.236 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -87.49 50.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.27 -174.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -86.57 138.15 31.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.222 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 . . . . . 0 C--O 1.202 -1.426 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.306 174.072 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.4 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.8 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.6 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.421 ' HE2' ' SD ' ' A' ' 67' ' ' MET . 29.1 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.4 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.0 p -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.1 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.9 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.4 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.569 ' HA ' ' HE2' ' A' ' 67' ' ' MET . 29.1 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.4 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 95.3 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.2 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 88.7 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.416 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 5.2 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.8 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.0 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 87.0 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.2 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.4 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.8 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.2 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.434 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 91.4 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.434 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 19.7 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.5 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . 0.403 ' OH ' ' HA ' ' B' ' 2' ' ' LEU . 58.2 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 44.4 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.3 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' LYS . . . . . 0.596 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 34.9 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.7 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 55.8 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.3 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.56 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 98.0 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.6 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.5 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.9 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.9 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.6 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 45.8 pt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.72 0.295 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.508 ' C ' HD12 ' B' ' 2' ' ' LEU . 2.1 pp -126.43 173.72 9.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -171.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -86.54 118.64 26.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 -165.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 10.7 t -50.25 158.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 170.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.74 131.46 50.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -121.81 -161.05 11.19 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.93 74.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 0.0 111.225 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -119.41 102.13 8.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.213 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -155.3 133.64 11.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.205 174.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 . . . . . 0 C--O 1.202 -1.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.307 179.058 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.0 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.4 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 66.3 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.8 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.3 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . 0.533 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.1 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.1 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.0 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.9 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.457 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.6 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 33' ' ' PHE . 16.3 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 28.3 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 22.0 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.524 ' HB3' HD12 ' B' ' 2' ' ' LEU . 67.0 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.7 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.6 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.1 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.8 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.6 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.7 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 91.1 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.464 ' HB2' HG12 ' A' ' 124' ' ' ILE . 9.2 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.464 HG12 ' HB2' ' A' ' 116' ' ' ASP . 32.9 pt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.547 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.4 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.8 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 41.8 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.547 ' CZ3' ' HB2' ' A' ' 126' ' ' LEU . 84.2 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.3 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 69.0 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.6 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . 0.578 ' OH ' ' O ' ' B' ' 1' ' ' ILE . 77.1 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.5 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.414 ' HA3' HG12 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 66.4 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' LYS . . . . . 0.595 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.2 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.5 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.6 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.56 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.2 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.1 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 65.4 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.6 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ILE . . . . . 0.578 ' O ' ' OH ' ' A' ' 159' ' ' TYR . 5.4 mm . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.713 0.292 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 63' ' ' GLU . 48.2 mt -100.12 139.84 35.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.135 166.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -82.69 118.18 23.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.123 -171.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 87.6 m -56.25 132.06 49.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.109 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.82 131.33 49.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.37 -134.39 4.23 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -67.79 80.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.736 0.303 . . . . 0.0 111.231 176.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -101.83 15.82 27.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.245 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -84.96 127.52 34.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.232 -175.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 . . . . . 0 C--O 1.202 -1.401 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.307 172.749 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.1 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.0 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.4 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 59.9 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.2 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 31.9 tpp -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.5 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.0 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 33' ' ' PHE . 16.1 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.7 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.3 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.6 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.9 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.1 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 86.8 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.4 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 86.9 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 63.5 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.2 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.4 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 126' ' ' LEU . 87.4 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 72.5 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 27.8 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 25.4 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.3 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' LYS . . . . . 0.595 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.4 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.56 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ILE . . . . . 0.784 HG23 ' O ' ' B' ' 1' ' ' ILE . 19.8 tt . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.679 0.276 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.3 163.65 27.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.14 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -70.56 158.23 36.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 173.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 69.8 p -99.93 167.78 10.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.098 -174.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.5 154.56 39.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -177.26 -121.67 0.69 Allowed Glycine 0 CA--C 1.521 0.423 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -102.32 62.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 111.242 -175.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -112.94 43.52 1.67 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.249 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -116.27 151.76 35.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.26 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 . . . . . 0 C--O 1.203 -1.394 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.336 -178.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' HIS . . . . . 0.492 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' PRO . . . . . 0.492 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 31.8 tpp -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.409 ' HE2' ' SD ' ' A' ' 67' ' ' MET . 20.6 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.2 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.4 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.443 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.9 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.443 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.7 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.2 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.74 ' HE2' ' HA ' ' A' ' 67' ' ' MET . 28.3 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.414 ' HE2' HD12 ' A' ' 97' ' ' ILE . 7.7 t-160 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.5 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.8 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.414 HD12 ' HE2' ' A' ' 70' ' ' HIS . 97.4 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.9 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.4 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.435 ' HB2' HG22 ' A' ' 124' ' ' ILE . 8.9 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.581 HD11 ' HB3' ' A' ' 133' ' ' TRP . 15.2 tt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.515 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.1 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.6 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 131' ' ' ARG . 47.6 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.581 ' HB3' HD11 ' A' ' 124' ' ' ILE . 90.5 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.432 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 78.9 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.432 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.2 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.0 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.2 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.3 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' LYS . . . . . 0.596 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.1 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.4 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.56 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 235' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ILE . . . . . 0.689 HG13 ' O ' ' B' ' 1' ' ' ILE . 49.1 pt . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.7 0.286 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.578 ' O ' HD12 ' B' ' 2' ' ' LEU . 3.2 pp -56.95 162.62 2.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.007 0.432 . . . . 0.0 111.108 -177.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -85.51 -176.21 5.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -162.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 92.1 m -100.96 132.87 46.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 173.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.45 112.32 0.67 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.63 -137.35 9.67 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -67.2 81.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.31 . . . . 0.0 111.212 176.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -106.1 12.06 30.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -77.24 133.13 38.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.227 -176.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 . . . . . 0 C--O 1.203 -1.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.301 175.463 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' HIS . . . . . 0.493 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.1 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.3 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 77' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.7 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.5 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.4 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.4 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 33' ' ' PHE . 16.3 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.8 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.41 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.5 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.8 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' HB3' HD12 ' B' ' 2' ' ' LEU . 57.7 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.4 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.9 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.8 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.7 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 87.4 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 87.5 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.2 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.2 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.423 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 85.8 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.423 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.1 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 46.9 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 66.4 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.3 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.2 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.1 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.6 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.6 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 90.3 mt . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.667 0.27 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 63' ' ' GLU . 98.4 mt -92.21 155.23 18.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 175.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 176.387 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.773 0.32 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -135.59 140.25 44.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 . . . . . 0 C--O 1.203 -1.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.283 177.943 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.1 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.4 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 74' ' ' THR . . . . . 0.403 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 77' ' ' ASP . . . . . 0.403 ' H ' HG23 ' C' ' 74' ' ' THR . 80.5 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.4 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.4 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.8 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.6 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.7 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' HB3' HD12 ' B' ' 2' ' ' LEU . 90.6 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.9 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.478 ' HD3' ' HB2' ' A' ' 87' ' ' GLN . 0.4 OUTLIER -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.478 ' HB2' ' HD3' ' A' ' 82' ' ' ARG . 91.8 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.3 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.441 ' HB2' HG12 ' A' ' 124' ' ' ILE . 11.2 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.441 HG12 ' HB2' ' A' ' 116' ' ' ASP . 39.5 pt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 62.9 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.8 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.3 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.468 ' CZ2' ' CE3' ' A' ' 147' ' ' TRP . 82.9 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.8 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.404 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.3 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.404 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 9.5 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' TRP . . . . . 0.468 ' CE3' ' CZ2' ' A' ' 133' ' ' TRP . 13.0 m95 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.8 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.3 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' GLY . . . . . 0.416 ' HA3' HG13 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.7 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.1 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.6 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.3 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 98.0 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.5 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.8 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' ILE . . . . . 0.416 HG13 ' HA3' ' A' ' 167' ' ' GLY . 18.2 mm . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.674 0.274 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 63' ' ' GLU . 83.3 mt -108.68 156.56 19.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.127 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 50.4 t0 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.33 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.772 0.32 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -90.21 136.05 33.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 . . . . . 0 C--O 1.202 -1.397 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.337 174.419 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.1 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.6 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.3 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.1 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.1 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 79.6 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.3 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.5 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.5 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.3 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.8 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.5 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 49' ' ' ALA . 16.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' OE2' ' CD1' ' A' ' 60' ' ' TRP . 7.6 tt0 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.423 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 48.4 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.454 ' CD1' ' OE2' ' A' ' 55' ' ' GLU . 7.2 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.7 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 31.2 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 96.7 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.7 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.7 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 4.4 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.7 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.434 ' HB2' HG22 ' A' ' 124' ' ' ILE . 7.6 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 133' ' ' TRP . 15.1 tt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.1 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.9 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.575 ' HB3' HD11 ' A' ' 124' ' ' ILE . 89.9 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.423 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 71.8 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.423 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.0 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 91.6 mtm-85 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 186' ' ' LYS . . . . . 0.601 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 79.7 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 55.8 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 41.8 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.8 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.4 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.6 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.5 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.1 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.751 0.31 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' LEU . . . . . 0.498 HD12 ' C ' ' B' ' 2' ' ' LEU . 2.2 pp -125.08 172.28 9.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.114 -174.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 28.4 t0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 -166.527 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.82 0.343 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -76.93 138.78 39.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.289 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 . . . . . 0 C--O 1.201 -1.458 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.269 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.5 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.9 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.9 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.0 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.533 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 74' ' ' THR . . . . . 0.403 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 77' ' ' ASP . . . . . 0.403 ' H ' HG23 ' C' ' 74' ' ' THR . 80.5 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.5 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.4 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.414 ' HE2' ' SD ' ' A' ' 67' ' ' MET . 20.7 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.5 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.44 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.6 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 61.2 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.0 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 40.9 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.453 ' HA ' ' CE ' ' A' ' 67' ' ' MET . 27.0 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 91.3 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.7 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.7 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 98.8 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.9 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.2 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.5 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.429 ' HB2' HG22 ' A' ' 124' ' ' ILE . 7.8 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.573 HD11 ' HB3' ' A' ' 133' ' ' TRP . 15.1 tt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.1 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.5 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.573 ' HB3' HD11 ' A' ' 124' ' ' ILE . 90.8 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.425 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 84.1 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.425 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.0 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.6 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.2 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.9 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.5 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 186' ' ' LYS . . . . . 0.603 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.2 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.1 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.3 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.5 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.2 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.478 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.3 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 210' ' ' PRO . . . . . 0.478 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.2 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.1 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.6 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 235' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 61.3 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 65.4 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 75.9 mt . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 120.725 0.298 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' LEU . . . . . 0.497 HD12 ' C ' ' B' ' 2' ' ' LEU . 3.9 pp -140.95 163.03 34.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 169.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 29.1 t0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -166.755 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.767 0.318 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -91.96 147.47 22.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 173.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 . . . . . 0 C--O 1.202 -1.442 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.299 -178.104 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.4 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.1 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 67.1 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 74' ' ' THR . . . . . 0.403 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 77' ' ' ASP . . . . . 0.403 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 79.9 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.0 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.5 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.0 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.9 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.45 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.6 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.8 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.8 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.422 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.7 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 39.2 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.423 ' HB3' HD12 ' B' ' 2' ' ' LEU . 56.7 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.7 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.478 ' HD3' ' HB2' ' A' ' 87' ' ' GLN . 0.4 OUTLIER -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.478 ' HB2' ' HD3' ' A' ' 82' ' ' ARG . 91.8 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.6 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.8 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.4 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.466 ' HB2' HG12 ' A' ' 124' ' ' ILE . 7.8 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.466 HG12 ' HB2' ' A' ' 116' ' ' ASP . 27.8 pt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.546 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.4 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.0 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.8 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' A' ' 126' ' ' LEU . 84.4 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.2 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.422 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.7 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 19.9 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.9 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' GLY . . . . . 0.424 ' HA3' HG13 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.8 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 186' ' ' LYS . . . . . 0.601 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.5 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.3 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.3 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 98.1 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.5 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 65.4 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' ILE . . . . . 0.605 HG22 ' O ' ' B' ' 1' ' ' ILE . 20.0 mm . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.738 0.304 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 63' ' ' GLU . 89.6 mt -91.41 157.29 17.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.431 . . . . 0.0 111.086 175.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 42.3 t0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 176.384 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.802 0.334 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -80.41 143.13 33.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.25 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 . . . . . 0 C--O 1.202 -1.428 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.32 177.479 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.0 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.6 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 66.3 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.5 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.2 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.5 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.4 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.453 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.8 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.1 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.1 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.433 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 18.6 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 49' ' ' ALA . 16.9 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' OE2' ' CD1' ' A' ' 60' ' ' TRP . 14.1 tt0 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.3 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.436 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 12.7 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.455 ' CD1' ' OE2' ' A' ' 55' ' ' GLU . 7.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' HB3' HD12 ' B' ' 2' ' ' LEU . 62.1 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.5 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.2 m -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.1 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.4 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 87.2 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 86.9 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.3 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.3 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.422 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 81.3 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.2 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.9 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' GLY . . . . . 0.425 ' HA3' HG13 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.6 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 68.2 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 186' ' ' LYS . . . . . 0.601 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.3 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' ILE . . . . . 0.647 HG22 ' O ' ' B' ' 1' ' ' ILE . 22.4 mm . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.739 0.304 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' A' ' 63' ' ' GLU . 99.6 mt -92.65 156.85 16.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.163 173.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 39.2 t0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 174.997 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.798 0.333 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -86.57 138.15 31.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.222 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 . . . . . 0 C--O 1.202 -1.426 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.306 174.072 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.4 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.8 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.6 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.416 ' HE2' ' SD ' ' A' ' 67' ' ' MET . 29.1 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.4 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.0 p -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.1 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.9 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.422 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.4 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.422 ' HA ' ' HE2' ' A' ' 67' ' ' MET . 29.1 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.4 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 95.3 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.2 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 88.7 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.416 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 5.2 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.8 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.0 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 87.0 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.2 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.4 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.8 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.2 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.425 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 91.4 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.425 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 19.7 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.5 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' TYR . . . . . 0.404 ' OH ' ' HA ' ' B' ' 2' ' ' LEU . 58.2 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 44.4 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.3 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 34.9 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.7 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 55.8 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.3 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 98.0 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.6 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.5 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.9 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.9 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.6 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 272' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 45.8 pt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.72 0.295 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' LEU . . . . . 0.509 ' C ' HD12 ' B' ' 2' ' ' LEU . 2.1 pp -126.43 173.72 9.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -171.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 59.4 t0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 -165.097 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.836 0.351 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -155.3 133.64 11.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.205 174.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 . . . . . 0 C--O 1.202 -1.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.307 179.058 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.0 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.4 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 66.3 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.8 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.3 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.1 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.1 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.0 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.9 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.456 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.6 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 33' ' ' PHE . 16.3 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 28.3 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 22.0 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.513 ' HB3' HD12 ' B' ' 2' ' ' LEU . 67.0 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.7 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.6 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.1 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.8 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.6 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.7 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 91.1 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.458 ' HB2' HG12 ' A' ' 124' ' ' ILE . 9.2 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.458 HG12 ' HB2' ' A' ' 116' ' ' ASP . 32.9 pt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.4 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.8 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 41.8 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 126' ' ' LEU . 84.2 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.3 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 69.0 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.6 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' TYR . . . . . 0.578 ' OH ' ' O ' ' B' ' 1' ' ' ILE . 77.1 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.5 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' GLY . . . . . 0.405 ' HA3' HG12 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 66.4 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 186' ' ' LYS . . . . . 0.603 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.2 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.5 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.6 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.2 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.1 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 61.3 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 65.4 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.6 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' ILE . . . . . 0.578 ' O ' ' OH ' ' A' ' 159' ' ' TYR . 5.4 mm . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.713 0.292 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 63' ' ' GLU . 48.2 mt -100.12 139.84 35.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.135 166.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.0 t0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.123 -171.876 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.808 0.337 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -84.96 127.52 34.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.232 -175.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 . . . . . 0 C--O 1.202 -1.401 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.307 172.749 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.1 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.0 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.4 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 59.9 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.2 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 74' ' ' THR . . . . . 0.403 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 77' ' ' ASP . . . . . 0.403 ' H ' HG23 ' C' ' 74' ' ' THR . 80.5 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 31.9 tpp -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.5 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.0 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.451 HG13 ' CD1' ' A' ' 33' ' ' PHE . 16.1 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.7 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.3 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.6 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.9 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.1 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 86.8 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.4 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 86.9 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 63.5 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.2 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.4 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 126' ' ' LEU . 87.4 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 72.5 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 27.8 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 25.4 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.3 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.4 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' ILE . . . . . 0.784 HG23 ' O ' ' B' ' 1' ' ' ILE . 19.8 tt . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.679 0.276 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.3 163.65 27.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.14 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 30.7 t0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 173.751 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.774 0.321 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -116.27 151.76 35.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.26 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 . . . . . 0 C--O 1.203 -1.394 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.336 -178.926 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 31.8 tpp -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.404 ' HE2' ' SD ' ' A' ' 67' ' ' MET . 20.6 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.2 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.4 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.442 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.9 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.442 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.7 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.2 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.439 ' HA ' ' CE ' ' A' ' 67' ' ' MET . 28.3 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.5 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.8 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.4 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.9 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.4 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.43 ' HB2' HG22 ' A' ' 124' ' ' ILE . 8.9 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 133' ' ' TRP . 15.2 tt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.516 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.1 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.6 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.575 ' HB3' HD11 ' A' ' 124' ' ' ILE . 90.5 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.424 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 78.9 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.424 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.2 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.0 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.2 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.3 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.1 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.4 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' ILE . . . . . 0.7 HG13 ' O ' ' B' ' 1' ' ' ILE . 49.1 pt . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.7 0.286 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' LEU . . . . . 0.578 ' O ' HD12 ' B' ' 2' ' ' LEU . 3.2 pp -56.95 162.62 2.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.007 0.432 . . . . 0.0 111.108 -177.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 49.1 p30 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -162.452 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.793 0.33 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -77.24 133.13 38.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.227 -176.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 . . . . . 0 C--O 1.203 -1.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.301 175.463 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.1 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.3 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.7 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.5 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.4 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.4 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 33' ' ' PHE . 16.3 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.8 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.41 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.5 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.8 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' HB3' HD12 ' B' ' 2' ' ' LEU . 57.7 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.4 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.9 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.8 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.7 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 87.4 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 87.5 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.2 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.2 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.423 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 85.8 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.423 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.1 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 46.9 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 66.4 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.3 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.2 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.1 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.6 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.6 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 90.3 mt . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.667 0.27 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 63' ' ' GLU . 98.4 mt -92.21 155.23 18.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 175.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -78.75 166.07 22.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 97.5 m -109.13 132.49 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.129 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.33 128.28 36.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -117.72 -104.08 2.25 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -90.02 42.74 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 111.231 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -78.61 65.65 3.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -173.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -135.59 140.25 44.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 . . . . . 0 C--O 1.203 -1.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.283 177.943 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.1 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.4 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 74' ' ' THR . . . . . 0.403 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 77' ' ' ASP . . . . . 0.403 ' H ' HG23 ' C' ' 74' ' ' THR . 80.5 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.4 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.4 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.8 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.6 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.7 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' HB3' HD12 ' B' ' 2' ' ' LEU . 90.6 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.9 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.478 ' HD3' ' HB2' ' A' ' 87' ' ' GLN . 0.4 OUTLIER -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.478 ' HB2' ' HD3' ' A' ' 82' ' ' ARG . 91.8 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.3 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.441 ' HB2' HG12 ' A' ' 124' ' ' ILE . 11.2 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.441 HG12 ' HB2' ' A' ' 116' ' ' ASP . 39.5 pt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 62.9 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.8 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.3 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.468 ' CZ2' ' CE3' ' A' ' 147' ' ' TRP . 82.9 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.8 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.404 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.3 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.404 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 9.5 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' TRP . . . . . 0.468 ' CE3' ' CZ2' ' A' ' 133' ' ' TRP . 13.0 m95 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.8 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.3 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.416 ' HA3' HG13 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.7 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.1 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.6 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.3 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 98.0 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.5 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.8 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ILE . . . . . 0.416 HG13 ' HA3' ' A' ' 167' ' ' GLY . 18.2 mm . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.674 0.274 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 63' ' ' GLU . 83.3 mt -108.68 156.56 19.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.127 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -84.34 113.13 20.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 87.3 m -56.7 130.52 45.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.095 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.18 127.52 32.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.18 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -125.09 -130.57 3.51 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -67.9 74.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 111.211 176.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -104.82 16.27 26.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 -173.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -90.21 136.05 33.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 . . . . . 0 C--O 1.202 -1.397 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.337 174.419 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.1 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.6 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.3 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.1 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.1 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 79.6 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.3 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.5 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.5 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.3 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.8 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.5 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 49' ' ' ALA . 16.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' OE2' ' CD1' ' A' ' 60' ' ' TRP . 7.6 tt0 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.423 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 48.4 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.454 ' CD1' ' OE2' ' A' ' 55' ' ' GLU . 7.2 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.7 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 31.2 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 96.7 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.7 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.7 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 4.4 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.7 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.434 ' HB2' HG22 ' A' ' 124' ' ' ILE . 7.6 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 133' ' ' TRP . 15.1 tt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.1 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.9 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.575 ' HB3' HD11 ' A' ' 124' ' ' ILE . 89.9 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.423 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 71.8 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.423 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.0 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 91.6 mtm-85 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' LYS . . . . . 0.601 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 79.7 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 55.8 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 41.8 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.8 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.4 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.6 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.5 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.1 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.751 0.31 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.498 HD12 ' C ' ' B' ' 2' ' ' LEU . 2.2 pp -125.08 172.28 9.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.114 -174.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -78.2 160.67 27.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 -166.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 53.1 p -89.15 170.42 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.122 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.85 126.24 29.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -130.5 -141.35 4.89 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -96.87 68.01 2.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.744 0.306 . . . . 0.0 111.199 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -100.62 11.21 39.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -76.93 138.78 39.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.289 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 . . . . . 0 C--O 1.201 -1.458 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.269 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.5 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.9 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.9 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.0 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.533 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 74' ' ' THR . . . . . 0.403 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 77' ' ' ASP . . . . . 0.403 ' H ' HG23 ' C' ' 74' ' ' THR . 80.5 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.5 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.4 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.414 ' HE2' ' SD ' ' A' ' 67' ' ' MET . 20.7 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.5 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.44 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.6 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 61.2 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.0 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 40.9 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.453 ' HA ' ' CE ' ' A' ' 67' ' ' MET . 27.0 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 91.3 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.7 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.7 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 98.8 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.9 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.2 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.5 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.429 ' HB2' HG22 ' A' ' 124' ' ' ILE . 7.8 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.573 HD11 ' HB3' ' A' ' 133' ' ' TRP . 15.1 tt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.1 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.5 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.573 ' HB3' HD11 ' A' ' 124' ' ' ILE . 90.8 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.425 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 84.1 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.425 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.0 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.6 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.2 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.9 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.5 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' LYS . . . . . 0.603 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.2 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.1 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.3 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.5 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.2 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.478 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.3 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 210' ' ' PRO . . . . . 0.478 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.2 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.1 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.6 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 235' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 61.3 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 65.4 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 75.9 mt . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 120.725 0.298 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.497 HD12 ' C ' ' B' ' 2' ' ' LEU . 3.9 pp -140.95 163.03 34.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 169.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -89.82 159.45 17.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -166.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 14.9 t -88.5 -168.17 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.22 -59.28 2.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 176.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.18 -127.48 29.86 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -103.01 84.23 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.2 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -140.17 44.16 1.9 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.228 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -91.96 147.47 22.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 173.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 . . . . . 0 C--O 1.202 -1.442 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.299 -178.104 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.4 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.1 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 67.1 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 74' ' ' THR . . . . . 0.403 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 77' ' ' ASP . . . . . 0.403 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 79.9 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.0 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.5 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.0 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.9 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.45 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.6 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.8 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.8 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.7 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 39.2 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.423 ' HB3' HD12 ' B' ' 2' ' ' LEU . 56.7 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.7 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.478 ' HD3' ' HB2' ' A' ' 87' ' ' GLN . 0.4 OUTLIER -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.478 ' HB2' ' HD3' ' A' ' 82' ' ' ARG . 91.8 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.6 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.8 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.4 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.466 ' HB2' HG12 ' A' ' 124' ' ' ILE . 7.8 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.466 HG12 ' HB2' ' A' ' 116' ' ' ASP . 27.8 pt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.546 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.4 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.0 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.8 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' A' ' 126' ' ' LEU . 84.4 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.2 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.422 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.7 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 19.9 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.9 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.424 ' HA3' HG13 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.8 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' LYS . . . . . 0.601 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.5 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.3 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.3 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 98.1 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.5 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 65.4 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ILE . . . . . 0.605 HG22 ' O ' ' B' ' 1' ' ' ILE . 20.0 mm . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.738 0.304 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 63' ' ' GLU . 89.6 mt -91.41 157.29 17.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.431 . . . . 0.0 111.086 175.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -79.61 122.27 26.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 71.1 p -66.94 154.31 41.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.146 -174.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.77 131.25 47.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -176.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -131.08 -136.41 3.92 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -95.14 73.12 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 111.192 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -101.76 19.03 18.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.219 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -80.41 143.13 33.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.25 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 . . . . . 0 C--O 1.202 -1.428 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.32 177.479 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.0 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.6 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 66.3 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.5 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.2 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.5 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.4 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.453 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.8 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.1 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.1 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.433 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 18.6 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 49' ' ' ALA . 16.9 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' OE2' ' CD1' ' A' ' 60' ' ' TRP . 14.1 tt0 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.3 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.436 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 12.7 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.455 ' CD1' ' OE2' ' A' ' 55' ' ' GLU . 7.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' HB3' HD12 ' B' ' 2' ' ' LEU . 62.1 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.5 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.2 m -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.1 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.4 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 87.2 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 86.9 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.3 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.3 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.422 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 81.3 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.2 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.9 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.425 ' HA3' HG13 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.6 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 68.2 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 186' ' ' LYS . . . . . 0.601 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.3 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ILE . . . . . 0.647 HG22 ' O ' ' B' ' 1' ' ' ILE . 22.4 mm . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.739 0.304 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' A' ' 63' ' ' GLU . 99.6 mt -92.65 156.85 16.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.163 173.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -74.26 158.2 34.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 78.6 p -88.25 166.76 14.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.129 -178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.63 88.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.72 -172.15 43.16 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -88.65 69.5 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 111.236 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -87.49 50.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.27 -174.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -86.57 138.15 31.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.222 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 . . . . . 0 C--O 1.202 -1.426 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.306 174.072 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.4 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.8 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.6 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.416 ' HE2' ' SD ' ' A' ' 67' ' ' MET . 29.1 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.4 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.0 p -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.1 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.9 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.4 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.422 ' HA ' ' HE2' ' A' ' 67' ' ' MET . 29.1 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.4 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 95.3 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.2 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 88.7 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.416 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 5.2 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.8 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.0 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 87.0 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.2 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.4 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.8 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.2 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.425 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 91.4 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.425 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 19.7 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.5 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' TYR . . . . . 0.404 ' OH ' ' HA ' ' B' ' 2' ' ' LEU . 58.2 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 44.4 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.3 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 34.9 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.7 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 55.8 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.3 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 98.0 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.6 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.5 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.9 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.9 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.6 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 272' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 45.8 pt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.72 0.295 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.509 ' C ' HD12 ' B' ' 2' ' ' LEU . 2.1 pp -126.43 173.72 9.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -171.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -86.54 118.64 26.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 -165.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 10.7 t -50.25 158.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 170.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.74 131.46 50.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -121.81 -161.05 11.19 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.93 74.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 0.0 111.225 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -119.41 102.13 8.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.213 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -155.3 133.64 11.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.205 174.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 . . . . . 0 C--O 1.202 -1.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.307 179.058 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.0 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.4 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 66.3 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.8 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.3 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.1 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.1 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.0 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.9 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.456 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.6 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 33' ' ' PHE . 16.3 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 28.3 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 22.0 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.513 ' HB3' HD12 ' B' ' 2' ' ' LEU . 67.0 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.7 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.6 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.1 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.8 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.6 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.7 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 91.1 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.458 ' HB2' HG12 ' A' ' 124' ' ' ILE . 9.2 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.458 HG12 ' HB2' ' A' ' 116' ' ' ASP . 32.9 pt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.4 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.8 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 41.8 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 126' ' ' LEU . 84.2 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.3 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 69.0 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.6 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' TYR . . . . . 0.578 ' OH ' ' O ' ' B' ' 1' ' ' ILE . 77.1 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.5 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.405 ' HA3' HG12 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 66.4 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' LYS . . . . . 0.603 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.2 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.5 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.6 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.2 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.1 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 61.3 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 65.4 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.6 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ILE . . . . . 0.578 ' O ' ' OH ' ' A' ' 159' ' ' TYR . 5.4 mm . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.713 0.292 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 63' ' ' GLU . 48.2 mt -100.12 139.84 35.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.135 166.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -82.69 118.18 23.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.123 -171.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 87.6 m -56.25 132.06 49.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.109 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.82 131.33 49.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.37 -134.39 4.23 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -67.79 80.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.736 0.303 . . . . 0.0 111.231 176.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -101.83 15.82 27.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.245 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -84.96 127.52 34.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.232 -175.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 . . . . . 0 C--O 1.202 -1.401 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.307 172.749 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.1 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.0 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.4 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 59.9 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.2 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 74' ' ' THR . . . . . 0.403 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 77' ' ' ASP . . . . . 0.403 ' H ' HG23 ' C' ' 74' ' ' THR . 80.5 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 31.9 tpp -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.5 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.0 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.451 HG13 ' CD1' ' A' ' 33' ' ' PHE . 16.1 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.7 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.3 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.6 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.9 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.1 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 86.8 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.4 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 86.9 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 63.5 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.2 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.4 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 126' ' ' LEU . 87.4 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 72.5 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 27.8 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 25.4 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.3 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.4 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ILE . . . . . 0.784 HG23 ' O ' ' B' ' 1' ' ' ILE . 19.8 tt . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.679 0.276 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.3 163.65 27.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.14 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -70.56 158.23 36.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 173.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 69.8 p -99.93 167.78 10.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.098 -174.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.5 154.56 39.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -177.26 -121.67 0.69 Allowed Glycine 0 CA--C 1.521 0.423 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -102.32 62.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 111.242 -175.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -112.94 43.52 1.67 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.249 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -116.27 151.76 35.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.26 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 . . . . . 0 C--O 1.203 -1.394 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.336 -178.926 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 31.8 tpp -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.404 ' HE2' ' SD ' ' A' ' 67' ' ' MET . 20.6 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.2 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.4 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.442 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.9 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.442 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.7 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.2 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.439 ' HA ' ' CE ' ' A' ' 67' ' ' MET . 28.3 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.5 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.8 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.4 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.9 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.4 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.43 ' HB2' HG22 ' A' ' 124' ' ' ILE . 8.9 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 133' ' ' TRP . 15.2 tt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.516 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.1 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.6 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.575 ' HB3' HD11 ' A' ' 124' ' ' ILE . 90.5 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.424 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 78.9 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.424 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.2 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.0 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.2 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.3 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.1 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.4 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ILE . . . . . 0.7 HG13 ' O ' ' B' ' 1' ' ' ILE . 49.1 pt . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.7 0.286 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.578 ' O ' HD12 ' B' ' 2' ' ' LEU . 3.2 pp -56.95 162.62 2.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.007 0.432 . . . . 0.0 111.108 -177.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -85.51 -176.21 5.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -162.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 92.1 m -100.96 132.87 46.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 173.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.45 112.32 0.67 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.63 -137.35 9.67 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -67.2 81.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.31 . . . . 0.0 111.212 176.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -106.1 12.06 30.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -77.24 133.13 38.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.227 -176.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 . . . . . 0 C--O 1.203 -1.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.301 175.463 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.1 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.3 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.7 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.5 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.4 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.4 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 33' ' ' PHE . 16.3 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.8 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.41 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.5 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.8 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' HB3' HD12 ' B' ' 2' ' ' LEU . 57.7 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.4 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.9 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.8 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.7 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 87.4 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 87.5 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.2 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.2 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.423 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 85.8 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.423 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.1 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 46.9 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 66.4 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.3 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.2 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.1 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.6 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.6 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 90.3 mt . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.667 0.27 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 63' ' ' GLU . 98.4 mt -92.21 155.23 18.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 175.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 176.387 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.773 0.32 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -135.59 140.25 44.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 . . . . . 0 C--O 1.203 -1.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.283 177.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.1 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.4 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . 0.403 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' ASP . . . . . 0.403 ' H ' HG23 ' C' ' 74' ' ' THR . 80.5 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.4 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.4 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.8 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.6 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.7 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' HB3' HD12 ' B' ' 2' ' ' LEU . 90.6 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.9 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.478 ' HD3' ' HB2' ' A' ' 87' ' ' GLN . 0.4 OUTLIER -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.478 ' HB2' ' HD3' ' A' ' 82' ' ' ARG . 91.8 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.3 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.441 ' HB2' HG12 ' A' ' 124' ' ' ILE . 11.2 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.441 HG12 ' HB2' ' A' ' 116' ' ' ASP . 39.5 pt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 62.9 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.8 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.3 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.468 ' CZ2' ' CE3' ' A' ' 147' ' ' TRP . 82.9 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.8 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.404 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.3 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.404 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 9.5 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . 0.468 ' CE3' ' CZ2' ' A' ' 133' ' ' TRP . 13.0 m95 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.8 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.3 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . 0.416 ' HA3' HG13 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.7 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.1 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.6 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.3 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 98.0 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.5 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.8 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' ILE . . . . . 0.416 HG13 ' HA3' ' A' ' 167' ' ' GLY . 18.2 mm . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.674 0.274 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 63' ' ' GLU . 83.3 mt -108.68 156.56 19.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.127 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 50.4 t0 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.33 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.772 0.32 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -90.21 136.05 33.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 . . . . . 0 C--O 1.202 -1.397 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.337 174.419 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.1 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.6 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.3 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.1 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.1 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 79.6 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.3 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.5 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.5 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.3 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.8 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.5 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 49' ' ' ALA . 16.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' OE2' ' CD1' ' A' ' 60' ' ' TRP . 7.6 tt0 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.423 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 48.4 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.454 ' CD1' ' OE2' ' A' ' 55' ' ' GLU . 7.2 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.7 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 31.2 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 96.7 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.7 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.7 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 4.4 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.7 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.434 ' HB2' HG22 ' A' ' 124' ' ' ILE . 7.6 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 133' ' ' TRP . 15.1 tt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.1 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.9 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.575 ' HB3' HD11 ' A' ' 124' ' ' ILE . 89.9 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.423 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 71.8 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.423 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.0 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 91.6 mtm-85 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' LYS . . . . . 0.601 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 79.7 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 55.8 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 41.8 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.8 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.4 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.6 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.5 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.1 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.751 0.31 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . 0.498 HD12 ' C ' ' B' ' 2' ' ' LEU . 2.2 pp -125.08 172.28 9.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.114 -174.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 28.4 t0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 -166.527 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.82 0.343 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -76.93 138.78 39.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.289 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 . . . . . 0 C--O 1.201 -1.458 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.269 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.5 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.9 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.9 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.0 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.533 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . 0.403 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' ASP . . . . . 0.403 ' H ' HG23 ' C' ' 74' ' ' THR . 80.5 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.5 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.4 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.414 ' HE2' ' SD ' ' A' ' 67' ' ' MET . 20.7 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.5 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.44 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.6 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 61.2 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.0 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 40.9 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.453 ' HA ' ' CE ' ' A' ' 67' ' ' MET . 27.0 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 91.3 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.7 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.7 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 98.8 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.9 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.2 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.5 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.429 ' HB2' HG22 ' A' ' 124' ' ' ILE . 7.8 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.573 HD11 ' HB3' ' A' ' 133' ' ' TRP . 15.1 tt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.1 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.5 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.573 ' HB3' HD11 ' A' ' 124' ' ' ILE . 90.8 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.425 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 84.1 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.425 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.0 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.6 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.2 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.9 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.5 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' LYS . . . . . 0.603 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.2 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.1 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.3 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.5 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.2 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.478 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.3 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 210' ' ' PRO . . . . . 0.478 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.2 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.1 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.6 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 235' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 61.3 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 65.4 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 75.9 mt . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 120.725 0.298 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . 0.497 HD12 ' C ' ' B' ' 2' ' ' LEU . 3.9 pp -140.95 163.03 34.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 169.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 29.1 t0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -166.755 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.767 0.318 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -91.96 147.47 22.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 173.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 . . . . . 0 C--O 1.202 -1.442 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.299 -178.104 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.4 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.1 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 67.1 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . 0.403 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' ASP . . . . . 0.403 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 79.9 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.0 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.5 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.0 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.9 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.45 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.6 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.8 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.8 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.422 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.7 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 39.2 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.423 ' HB3' HD12 ' B' ' 2' ' ' LEU . 56.7 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.7 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.478 ' HD3' ' HB2' ' A' ' 87' ' ' GLN . 0.4 OUTLIER -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.478 ' HB2' ' HD3' ' A' ' 82' ' ' ARG . 91.8 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.6 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.8 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.4 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.466 ' HB2' HG12 ' A' ' 124' ' ' ILE . 7.8 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.466 HG12 ' HB2' ' A' ' 116' ' ' ASP . 27.8 pt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.546 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.4 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.0 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.8 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' A' ' 126' ' ' LEU . 84.4 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.2 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.422 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.7 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 19.9 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.9 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . 0.424 ' HA3' HG13 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.8 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' LYS . . . . . 0.601 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.5 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.3 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.3 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 98.1 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.5 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 65.4 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' ILE . . . . . 0.605 HG22 ' O ' ' B' ' 1' ' ' ILE . 20.0 mm . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.738 0.304 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 63' ' ' GLU . 89.6 mt -91.41 157.29 17.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.431 . . . . 0.0 111.086 175.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 42.3 t0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 176.384 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.802 0.334 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -80.41 143.13 33.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.25 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 . . . . . 0 C--O 1.202 -1.428 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.32 177.479 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.0 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.6 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 66.3 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.5 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.2 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.5 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.4 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.453 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.8 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.1 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.1 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.433 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 18.6 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 49' ' ' ALA . 16.9 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' OE2' ' CD1' ' A' ' 60' ' ' TRP . 14.1 tt0 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.3 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.436 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 12.7 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.455 ' CD1' ' OE2' ' A' ' 55' ' ' GLU . 7.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' HB3' HD12 ' B' ' 2' ' ' LEU . 62.1 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.5 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.2 m -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.1 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.4 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 87.2 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 86.9 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.3 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.3 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.422 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 81.3 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.2 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.9 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . 0.425 ' HA3' HG13 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.6 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 68.2 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' LYS . . . . . 0.601 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.3 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' ILE . . . . . 0.647 HG22 ' O ' ' B' ' 1' ' ' ILE . 22.4 mm . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.739 0.304 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' A' ' 63' ' ' GLU . 99.6 mt -92.65 156.85 16.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.163 173.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 39.2 t0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 174.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.798 0.333 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -86.57 138.15 31.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.222 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 . . . . . 0 C--O 1.202 -1.426 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.306 174.072 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.4 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.8 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.6 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.416 ' HE2' ' SD ' ' A' ' 67' ' ' MET . 29.1 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.4 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.0 p -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.1 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.9 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.422 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.4 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.422 ' HA ' ' HE2' ' A' ' 67' ' ' MET . 29.1 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.4 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 95.3 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.2 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 88.7 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.416 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 5.2 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.8 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.0 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 87.0 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.2 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.4 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.8 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.2 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.425 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 91.4 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.425 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 19.7 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.5 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' TYR . . . . . 0.404 ' OH ' ' HA ' ' B' ' 2' ' ' LEU . 58.2 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 44.4 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.3 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 34.9 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.7 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 55.8 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.3 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 98.0 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.6 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.5 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.9 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.9 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.6 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 272' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 45.8 pt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.72 0.295 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . 0.509 ' C ' HD12 ' B' ' 2' ' ' LEU . 2.1 pp -126.43 173.72 9.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -171.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 59.4 t0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 -165.097 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.836 0.351 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -155.3 133.64 11.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.205 174.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 . . . . . 0 C--O 1.202 -1.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.307 179.058 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.0 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.4 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 66.3 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.8 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.3 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.1 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.1 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.0 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.9 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.456 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.6 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 33' ' ' PHE . 16.3 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 28.3 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 22.0 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.513 ' HB3' HD12 ' B' ' 2' ' ' LEU . 67.0 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.7 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.6 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.1 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.8 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.6 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.7 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 91.1 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.458 ' HB2' HG12 ' A' ' 124' ' ' ILE . 9.2 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.458 HG12 ' HB2' ' A' ' 116' ' ' ASP . 32.9 pt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.4 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.8 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 41.8 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 126' ' ' LEU . 84.2 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.3 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 69.0 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.6 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' TYR . . . . . 0.578 ' OH ' ' O ' ' B' ' 1' ' ' ILE . 77.1 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.5 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . 0.405 ' HA3' HG12 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 66.4 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' LYS . . . . . 0.603 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.2 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.5 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.6 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.2 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.1 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 61.3 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 65.4 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.6 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' ILE . . . . . 0.578 ' O ' ' OH ' ' A' ' 159' ' ' TYR . 5.4 mm . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.713 0.292 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 63' ' ' GLU . 48.2 mt -100.12 139.84 35.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.135 166.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.0 t0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.123 -171.876 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.808 0.337 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -84.96 127.52 34.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.232 -175.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 . . . . . 0 C--O 1.202 -1.401 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.307 172.749 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.1 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.0 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.4 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 59.9 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.2 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . 0.403 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' ASP . . . . . 0.403 ' H ' HG23 ' C' ' 74' ' ' THR . 80.5 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 31.9 tpp -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.5 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.0 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.451 HG13 ' CD1' ' A' ' 33' ' ' PHE . 16.1 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.7 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.3 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.6 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.9 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.1 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 86.8 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.4 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 86.9 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 63.5 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.2 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.4 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 126' ' ' LEU . 87.4 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 72.5 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 27.8 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 25.4 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.3 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.4 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' ILE . . . . . 0.784 HG23 ' O ' ' B' ' 1' ' ' ILE . 19.8 tt . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.679 0.276 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.3 163.65 27.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.14 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 30.7 t0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 173.751 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.774 0.321 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -116.27 151.76 35.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.26 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 . . . . . 0 C--O 1.203 -1.394 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.336 -178.926 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 31.8 tpp -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.404 ' HE2' ' SD ' ' A' ' 67' ' ' MET . 20.6 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.2 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.4 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.442 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.9 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.442 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.7 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.2 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.439 ' HA ' ' CE ' ' A' ' 67' ' ' MET . 28.3 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.5 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.8 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.4 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.9 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.4 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.43 ' HB2' HG22 ' A' ' 124' ' ' ILE . 8.9 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 133' ' ' TRP . 15.2 tt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.516 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.1 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.6 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.575 ' HB3' HD11 ' A' ' 124' ' ' ILE . 90.5 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.424 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 78.9 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.424 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.2 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.0 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.2 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.3 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.1 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.4 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' ILE . . . . . 0.7 HG13 ' O ' ' B' ' 1' ' ' ILE . 49.1 pt . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.7 0.286 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . 0.578 ' O ' HD12 ' B' ' 2' ' ' LEU . 3.2 pp -56.95 162.62 2.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.007 0.432 . . . . 0.0 111.108 -177.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 49.1 p30 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -162.452 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.793 0.33 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -77.24 133.13 38.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.227 -176.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 . . . . . 0 C--O 1.203 -1.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.301 175.463 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.1 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.3 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.7 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.5 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.4 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.4 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 33' ' ' PHE . 16.3 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.8 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.41 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.5 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.8 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' HB3' HD12 ' B' ' 2' ' ' LEU . 57.7 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.4 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.9 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.8 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.7 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 87.4 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 87.5 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.2 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.2 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.423 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 85.8 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.423 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.1 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 46.9 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 66.4 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.3 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.2 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.1 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.6 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.6 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 90.3 mt . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.667 0.27 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 63' ' ' GLU . 98.4 mt -92.21 155.23 18.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 175.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -78.75 166.07 22.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 97.5 m -109.13 132.49 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.129 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.33 128.28 36.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -117.72 -104.08 2.25 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -90.02 42.74 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 111.231 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -78.61 65.65 3.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -173.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -135.59 140.25 44.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 . . . . . 0 C--O 1.203 -1.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.283 177.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.1 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.4 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . 0.403 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' ASP . . . . . 0.403 ' H ' HG23 ' C' ' 74' ' ' THR . 80.5 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.4 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.4 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.8 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.6 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.7 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' HB3' HD12 ' B' ' 2' ' ' LEU . 90.6 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.9 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.478 ' HD3' ' HB2' ' A' ' 87' ' ' GLN . 0.4 OUTLIER -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.478 ' HB2' ' HD3' ' A' ' 82' ' ' ARG . 91.8 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.3 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.441 ' HB2' HG12 ' A' ' 124' ' ' ILE . 11.2 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.441 HG12 ' HB2' ' A' ' 116' ' ' ASP . 39.5 pt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 62.9 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.8 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.3 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.468 ' CZ2' ' CE3' ' A' ' 147' ' ' TRP . 82.9 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.8 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.404 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.3 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.404 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 9.5 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . 0.468 ' CE3' ' CZ2' ' A' ' 133' ' ' TRP . 13.0 m95 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.8 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.3 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.416 ' HA3' HG13 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.7 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.1 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.6 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.3 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 98.0 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.5 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.8 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ILE . . . . . 0.416 HG13 ' HA3' ' A' ' 167' ' ' GLY . 18.2 mm . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.674 0.274 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 63' ' ' GLU . 83.3 mt -108.68 156.56 19.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.127 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -84.34 113.13 20.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 87.3 m -56.7 130.52 45.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.095 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.18 127.52 32.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.18 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -125.09 -130.57 3.51 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -67.9 74.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 111.211 176.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -104.82 16.27 26.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 -173.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -90.21 136.05 33.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 . . . . . 0 C--O 1.202 -1.397 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.337 174.419 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.1 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.6 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.3 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.1 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.1 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 79.6 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.3 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.5 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.5 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.3 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.8 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.5 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 49' ' ' ALA . 16.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' OE2' ' CD1' ' A' ' 60' ' ' TRP . 7.6 tt0 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.423 ' HB2' ' HG3' ' A' ' 55' ' ' GLU . 48.4 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.454 ' CD1' ' OE2' ' A' ' 55' ' ' GLU . 7.2 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.7 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 31.2 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 96.7 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.7 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.7 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 4.4 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.7 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.434 ' HB2' HG22 ' A' ' 124' ' ' ILE . 7.6 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 133' ' ' TRP . 15.1 tt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.1 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.9 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.575 ' HB3' HD11 ' A' ' 124' ' ' ILE . 89.9 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.423 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 71.8 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.423 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.0 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 91.6 mtm-85 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' LYS . . . . . 0.601 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 79.7 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 55.8 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 41.8 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.8 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.4 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.6 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.5 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.1 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.751 0.31 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.498 HD12 ' C ' ' B' ' 2' ' ' LEU . 2.2 pp -125.08 172.28 9.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.114 -174.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -78.2 160.67 27.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 -166.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 53.1 p -89.15 170.42 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.122 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.85 126.24 29.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -130.5 -141.35 4.89 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -96.87 68.01 2.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.744 0.306 . . . . 0.0 111.199 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -100.62 11.21 39.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -76.93 138.78 39.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.289 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 . . . . . 0 C--O 1.201 -1.458 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.269 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.5 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.9 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.9 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.0 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.533 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . 0.403 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' ASP . . . . . 0.403 ' H ' HG23 ' C' ' 74' ' ' THR . 80.5 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.5 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.4 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.414 ' HE2' ' SD ' ' A' ' 67' ' ' MET . 20.7 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.5 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.44 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.6 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 61.2 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.0 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 40.9 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.453 ' HA ' ' CE ' ' A' ' 67' ' ' MET . 27.0 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 91.3 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.7 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.7 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 98.8 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.9 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.2 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.5 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.429 ' HB2' HG22 ' A' ' 124' ' ' ILE . 7.8 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.573 HD11 ' HB3' ' A' ' 133' ' ' TRP . 15.1 tt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.1 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.5 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.573 ' HB3' HD11 ' A' ' 124' ' ' ILE . 90.8 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.425 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 84.1 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.425 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.0 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.6 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.2 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.9 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.5 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' LYS . . . . . 0.603 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.2 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.1 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.3 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.5 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.2 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.478 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.3 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' PRO . . . . . 0.478 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.2 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.1 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.6 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 235' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 61.3 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 65.4 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 75.9 mt . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 120.725 0.298 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.497 HD12 ' C ' ' B' ' 2' ' ' LEU . 3.9 pp -140.95 163.03 34.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 169.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -89.82 159.45 17.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -166.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 14.9 t -88.5 -168.17 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.22 -59.28 2.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 176.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.18 -127.48 29.86 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -103.01 84.23 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.2 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -140.17 44.16 1.9 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.228 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -91.96 147.47 22.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 173.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 . . . . . 0 C--O 1.202 -1.442 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.299 -178.104 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.4 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.1 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 67.1 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . 0.403 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' ASP . . . . . 0.403 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 79.9 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.0 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.5 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.0 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.9 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.45 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.6 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.8 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.8 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.7 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 39.2 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.423 ' HB3' HD12 ' B' ' 2' ' ' LEU . 56.7 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.7 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.478 ' HD3' ' HB2' ' A' ' 87' ' ' GLN . 0.4 OUTLIER -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.478 ' HB2' ' HD3' ' A' ' 82' ' ' ARG . 91.8 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.6 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.8 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.4 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.466 ' HB2' HG12 ' A' ' 124' ' ' ILE . 7.8 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.466 HG12 ' HB2' ' A' ' 116' ' ' ASP . 27.8 pt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.546 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.4 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.0 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.8 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' A' ' 126' ' ' LEU . 84.4 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.2 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.422 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.7 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 19.9 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.9 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.424 ' HA3' HG13 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.8 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.8 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' LYS . . . . . 0.601 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.5 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.3 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.3 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 98.1 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.5 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 65.4 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ILE . . . . . 0.605 HG22 ' O ' ' B' ' 1' ' ' ILE . 20.0 mm . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.738 0.304 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 63' ' ' GLU . 89.6 mt -91.41 157.29 17.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.431 . . . . 0.0 111.086 175.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -79.61 122.27 26.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 71.1 p -66.94 154.31 41.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.146 -174.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.77 131.25 47.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -176.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -131.08 -136.41 3.92 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -95.14 73.12 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 111.192 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -101.76 19.03 18.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.219 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -80.41 143.13 33.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.25 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 . . . . . 0 C--O 1.202 -1.428 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.32 177.479 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.0 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.6 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 66.3 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.5 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.4 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.2 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.5 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.4 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.453 ' CD1' HG13 ' A' ' 34' ' ' VAL . 16.7 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.8 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.1 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.1 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.433 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 18.6 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 49' ' ' ALA . 16.9 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' OE2' ' CD1' ' A' ' 60' ' ' TRP . 14.1 tt0 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.3 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.436 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . 12.7 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.455 ' CD1' ' OE2' ' A' ' 55' ' ' GLU . 7.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' HB3' HD12 ' B' ' 2' ' ' LEU . 62.1 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.5 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.2 m -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.1 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.4 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 87.2 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 86.9 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.3 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.3 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.422 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.4 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 81.3 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.2 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.9 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.425 ' HA3' HG13 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.6 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 68.2 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' LYS . . . . . 0.601 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.3 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ILE . . . . . 0.647 HG22 ' O ' ' B' ' 1' ' ' ILE . 22.4 mm . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.739 0.304 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' A' ' 63' ' ' GLU . 99.6 mt -92.65 156.85 16.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.163 173.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -74.26 158.2 34.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 78.6 p -88.25 166.76 14.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.129 -178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.63 88.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.72 -172.15 43.16 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -88.65 69.5 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 111.236 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -87.49 50.1 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.27 -174.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -86.57 138.15 31.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.222 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 . . . . . 0 C--O 1.202 -1.426 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.306 174.072 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.5 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.4 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.8 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.6 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.416 ' HE2' ' SD ' ' A' ' 67' ' ' MET . 29.1 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.4 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.8 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.0 p -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.1 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.9 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.4 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 49' ' ' ALA . 15.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.422 ' HA ' ' HE2' ' A' ' 67' ' ' MET . 29.1 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.4 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 95.3 m -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.2 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 88.7 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.416 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 5.2 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.8 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.0 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 87.0 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.2 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.4 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.8 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.2 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.425 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 91.4 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.425 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 19.7 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.5 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . 0.404 ' OH ' ' HA ' ' B' ' 2' ' ' LEU . 58.2 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 44.4 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.3 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 34.9 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.7 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 55.8 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.3 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 98.0 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.6 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.5 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.9 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.9 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.6 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 272' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ILE . . . . . . . . . . . . . 45.8 pt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.72 0.295 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.509 ' C ' HD12 ' B' ' 2' ' ' LEU . 2.1 pp -126.43 173.72 9.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -171.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -86.54 118.64 26.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 -165.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 10.7 t -50.25 158.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 170.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.74 131.46 50.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -121.81 -161.05 11.19 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.93 74.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 0.0 111.225 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -119.41 102.13 8.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.213 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -155.3 133.64 11.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.205 174.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 . . . . . 0 C--O 1.202 -1.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.307 179.058 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.0 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.4 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.7 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 66.3 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.8 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.3 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.1 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.1 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.0 ttm -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.9 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.456 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.6 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 33' ' ' PHE . 16.3 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 28.3 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 22.0 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.513 ' HB3' HD12 ' B' ' 2' ' ' LEU . 67.0 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.7 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.6 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.1 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.8 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.6 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.7 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 91.1 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.458 ' HB2' HG12 ' A' ' 124' ' ' ILE . 9.2 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.458 HG12 ' HB2' ' A' ' 116' ' ' ASP . 32.9 pt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.4 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.8 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 41.8 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 126' ' ' LEU . 84.2 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.3 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 69.0 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.6 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . 0.578 ' OH ' ' O ' ' B' ' 1' ' ' ILE . 77.1 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.5 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.405 ' HA3' HG12 ' B' ' 1' ' ' ILE . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 66.4 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' LYS . . . . . 0.603 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.2 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.7 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.5 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.6 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.2 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.1 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.8 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 61.3 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 65.4 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.6 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ILE . . . . . 0.578 ' O ' ' OH ' ' A' ' 159' ' ' TYR . 5.4 mm . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.713 0.292 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 63' ' ' GLU . 48.2 mt -100.12 139.84 35.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.135 166.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -82.69 118.18 23.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.123 -171.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 87.6 m -56.25 132.06 49.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.109 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.82 131.33 49.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.37 -134.39 4.23 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -67.79 80.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.736 0.303 . . . . 0.0 111.231 176.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -101.83 15.82 27.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.245 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -84.96 127.52 34.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.232 -175.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 . . . . . 0 C--O 1.202 -1.401 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.307 172.749 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.1 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.0 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.4 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 59.9 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.2 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . 0.403 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' ASP . . . . . 0.403 ' H ' HG23 ' C' ' 74' ' ' THR . 80.5 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 31.9 tpp -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.3 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.5 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.5 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.0 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.451 HG13 ' CD1' ' A' ' 33' ' ' PHE . 16.1 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.7 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.3 ttt -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.6 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.9 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.1 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 86.8 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.5 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.4 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 86.9 mt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 63.5 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.2 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.4 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 126' ' ' LEU . 87.4 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 72.5 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 27.8 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 25.4 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.0 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.3 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.2 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.4 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.5 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.2 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.4 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ILE . . . . . 0.784 HG23 ' O ' ' B' ' 1' ' ' ILE . 19.8 tt . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.679 0.276 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.3 163.65 27.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.14 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -70.56 158.23 36.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 173.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 69.8 p -99.93 167.78 10.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.098 -174.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.5 154.56 39.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -177.26 -121.67 0.69 Allowed Glycine 0 CA--C 1.521 0.423 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -102.32 62.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 111.242 -175.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -112.94 43.52 1.67 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.249 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -116.27 151.76 35.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.26 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 . . . . . 0 C--O 1.203 -1.394 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.336 -178.926 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 48.9 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.2 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.8 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -73.08 163.08 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.253 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -137.51 152.54 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -116.96 141.26 48.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 31.8 tpp -119.43 134.15 55.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 167.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.06 146.32 46.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.219 -176.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -131.77 133.99 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 167.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -118.54 127.45 53.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.404 ' HE2' ' SD ' ' A' ' 67' ' ' MET . 20.6 m-85 -125.92 129.05 48.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.2 m -130.0 138.88 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -128.34 125.47 38.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 172.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.44 125.51 74.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.198 -174.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.8 p -62.12 148.59 43.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -141.67 75.31 22.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.182 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.23 134.53 56.99 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.658 1.572 . . . . 0.0 111.196 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.33 -58.11 3.69 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.5 68.1 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.21 -171.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.28 -154.73 52.03 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -93.25 156.04 40.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.49 140.23 44.86 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.791 1.66 . . . . 0.0 111.206 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -79.92 141.45 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -121.3 124.16 43.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.4 mt -122.95 134.59 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.64 128.42 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.94 131.25 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.91 145.07 15.88 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.2 144.61 51.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.162 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -113.56 113.67 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.228 156.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 49.87 -110.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -164.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -99.03 -1.01 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -173.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.4 m -106.18 124.79 50.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -169.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -78.5 133.21 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 166.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.442 ' CD1' HG13 ' A' ' 34' ' ' VAL . 15.9 p90 -135.24 -16.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.338 -170.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.442 HG13 ' CD1' ' A' ' 33' ' ' PHE . 15.7 m -140.59 155.0 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.229 171.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -143.27 158.71 43.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 176.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -155.56 142.53 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 169.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -147.29 125.82 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.5 p -63.24 -18.78 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -176.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -100.17 12.27 37.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.84 146.62 54.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.43 78.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -82.64 -27.34 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.253 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 58.88 22.59 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -175.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.7 161.22 31.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.2 tpp -61.21 138.86 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 170.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -128.0 141.55 41.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -76.41 160.8 35.23 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.588 1.525 . . . . 0.0 111.192 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -124.6 -31.61 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.27 165.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' O ' HG22 ' A' ' 52' ' ' ILE . . . -89.15 134.93 32.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 -175.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.17 -39.06 52.0 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -85.69 3.58 40.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -164.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 49' ' ' ALA . 14.8 tt -118.71 1.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 173.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -75.91 -2.41 30.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -91.1 -4.32 56.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -79.44 135.16 36.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.67 -167.87 35.16 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.37 -17.33 53.69 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.725 1.617 . . . . 0.0 111.277 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -59.04 -16.92 21.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -112.92 -52.06 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 171.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.264 -164.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.32 -42.86 74.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -174.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.68 -40.95 76.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -64.15 -38.44 91.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -59.44 -46.82 87.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.207 174.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.14 -38.09 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.43 -44.17 95.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.439 ' HA ' ' CE ' ' A' ' 67' ' ' MET . 28.3 mmt -67.5 -32.78 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.37 -45.19 94.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 170.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.66 91.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -61.52 -44.74 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 t -60.3 -46.98 87.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.1 -40.73 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 p -67.07 -46.31 74.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.69 -41.94 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.137 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.23 -43.64 98.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.26 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -65.33 -41.13 94.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.88 -45.02 93.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.91 95.25 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 176.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.5 m -63.71 -45.27 90.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.207 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.68 -39.71 95.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -52.27 -43.09 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 172.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.52 -50.76 63.11 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -54.54 -41.15 69.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.708 0.289 . . . . 0.0 111.163 -174.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -100.89 11.35 39.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.187 -173.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 49.97 47.8 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -92.07 156.22 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.8 t -64.25 142.66 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.45 -18.05 64.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.0 -1.24 57.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.98 169.4 48.3 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.3 p -111.38 155.01 23.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.742 0.306 . . . . 0.0 111.237 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -142.59 150.94 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.7 m -132.43 134.22 44.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 173.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.8 tt -118.77 136.45 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 174.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -126.95 126.34 43.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -176.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 97.4 mt -131.03 134.97 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -138.42 149.03 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.9 p90 -153.41 165.82 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 172.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.41 -170.96 42.95 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 31.6 p -149.18 152.2 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.194 -174.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -106.68 140.76 39.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 169.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.4 m -126.39 154.07 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 175.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.92 179.51 52.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 175.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.72 -20.03 64.86 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.773 1.649 . . . . 0.0 111.15 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -97.3 8.44 44.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 0.73 90.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -63.05 132.67 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -62.35 127.56 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.201 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.82 -62.39 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -143.46 141.94 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -171.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.73 154.1 18.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 170.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -133.84 136.99 44.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.228 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -159.77 123.69 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 166.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -143.16 143.14 31.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.43 ' HB2' HG22 ' A' ' 124' ' ' ILE . 8.9 m-20 -116.92 157.01 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 172.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.34 159.42 43.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.223 172.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -140.68 120.64 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.204 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 50.87 38.49 20.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.51 -9.8 71.35 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 169.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -106.34 138.87 41.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.315 . . . . 0.0 111.242 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -53.94 137.13 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -108.09 -74.46 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 133' ' ' TRP . 15.2 tt -136.51 139.71 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.276 177.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -115.8 145.75 42.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.221 172.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.516 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 64.1 tp -111.93 130.64 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 170.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -66.38 163.19 18.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.169 -175.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -65.9 -21.4 66.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -173.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.13 -11.23 59.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.6 mt 57.68 47.96 14.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.323 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -126.7 -31.34 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 126.06 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.198 -164.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.575 ' HB3' HD11 ' A' ' 124' ' ' ILE . 90.5 m95 -87.83 149.78 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 176.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.0 m -124.56 126.72 46.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.424 ' HB2' ' HD3' ' A' ' 144' ' ' LYS . . . -91.64 137.19 32.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.22 177.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -120.27 13.38 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -161.66 168.99 22.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 -177.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mmt -60.15 -56.26 23.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.68 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.37 90.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.73 -38.35 90.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.9 -49.39 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.299 174.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 78.9 m -64.65 -44.73 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.424 ' HD3' ' HB2' ' A' ' 135' ' ' ALA . 20.2 ttpp -56.04 -46.82 78.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.242 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -50.77 -47.12 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 176.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.57 -50.89 67.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -63.32 -39.35 94.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.294 -173.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.72 -44.71 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.71 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -177.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 24.0 m -99.65 5.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -175.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 53.4 49.07 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.83 -28.99 62.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.333 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.74 -28.48 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.78 -39.56 94.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.276 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.15 -39.49 92.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -68.16 -38.4 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -60.13 -47.84 84.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.241 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.13 -45.07 80.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -69.91 -60.99 1.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.37 -35.52 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -164.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -80.34 -21.4 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -119.4 -79.08 0.6 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -171.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.04 -42.54 98.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.196 -170.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 47.2 t -61.57 -41.85 97.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.33 -48.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -70.33 -40.71 73.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.93 -54.94 30.49 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.28 -47.41 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.154 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -51.39 -51.97 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.67 -39.6 91.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -64.93 -39.69 93.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.49 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -74.61 -52.57 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 175.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.37 -34.91 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.293 -175.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.29 21.59 28.55 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.21 -46.65 24.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 -174.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -80.98 -2.97 50.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 67.3 p -115.7 -20.09 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.11 -45.75 4.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 -175.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -92.32 6.65 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.199 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -58.47 156.5 10.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 78.2 p -122.82 148.62 45.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -145.1 111.59 4.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 173.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.5 150.15 51.15 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.71 1.606 . . . . 0.0 111.198 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 147.47 63.11 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.654 1.569 . . . . 0.0 111.187 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 186' ' ' LYS . 10.3 mptt -83.41 72.17 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 176.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 35.1 p -68.78 139.11 55.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.277 -162.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -165.0 160.82 19.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 169.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 58.8 ttm -126.14 141.02 52.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.4 p -126.69 156.6 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -113.64 128.14 56.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.294 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -129.54 91.67 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -174.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -57.25 143.67 92.92 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.792 1.662 . . . . 0.0 111.155 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 51.4 mm -108.6 -47.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.261 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 56.1 p -141.87 -166.66 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.72 -24.04 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -126.84 -27.63 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.252 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -94.04 139.18 31.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -172.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -152.29 167.78 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.263 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 81.1 p -130.85 156.74 44.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.7 mt -112.52 140.72 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 165.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -112.42 122.29 47.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 176.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.71 107.82 20.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -95.19 134.95 37.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 -171.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 66.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.87 147.12 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.23 -167.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 83.14 50.17 4.69 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 166.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -122.03 160.98 23.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -174.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.477 ' CG ' ' HA ' ' A' ' 210' ' ' PRO . 22.4 t80 -152.63 130.63 6.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 175.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 209' ' ' TYR . 83.4 Cg_endo -93.88 -165.68 1.73 Allowed 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.688 -2.214 . . . . 0.0 111.074 16.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.33 66.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.298 -173.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.41 117.76 5.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 19.8 tt -156.02 142.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.25 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 97.9 m -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 168.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 74.5 mt -105.09 138.79 40.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 97.4 m -133.49 132.39 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 217' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -102.04 146.18 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 168.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -131.86 149.61 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 171.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -133.51 127.96 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 168.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 58.51 23.67 11.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 92.81 -8.72 76.36 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.8 141.72 32.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 111.239 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 223' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.94 141.44 57.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 224' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -111.02 110.76 21.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 173.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 -1.28 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -172.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.41 -61.16 1.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.281 -170.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 227' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -86.26 64.12 8.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 228' ' ' THR . . . . . . . . . . . . . 11.7 t -146.08 151.12 37.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -166.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -134.07 133.47 41.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 171.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 230' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.33 151.52 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.79 145.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 232' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.54 145.68 55.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 173.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 233' ' ' THR . . . . . . . . . . . . . 91.2 m -57.52 130.29 45.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 235' ' ' PRO . 34.7 ptt180 -133.58 148.38 68.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 -175.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 235' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 234' ' ' ARG . 60.7 Cg_exo -55.64 138.08 79.95 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.818 1.679 . . . . 0.0 111.133 175.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 236' ' ' ALA . . . . . . . . . . . . . . . -82.38 -17.16 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.294 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 84.34 12.4 75.99 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 238' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -139.98 21.49 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 111.329 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . . . . . . . . . . . 96.95 -10.83 66.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 34.7 p -112.77 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.22 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 241' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.47 159.15 32.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.253 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 242' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -115.14 150.86 35.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 243' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -160.98 145.35 13.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 165.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -144.36 159.51 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 245' ' ' ALA . . . . . . . . . . . . . . . -140.18 159.06 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 172.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 246' ' ' ALA . . . . . . . . . . . . . . . -142.74 153.57 43.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.87 164.37 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 172.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.97 123.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 249' ' ' VAL . . . . . . . . . . . . . 66.0 t -133.82 92.0 23.72 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.256 -173.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 250' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -53.05 140.31 60.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.653 1.569 . . . . 0.0 111.204 176.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 38.7 t -55.45 126.13 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 98.61 -14.9 61.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 253' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -95.09 0.13 54.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -178.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 254' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -59.97 -25.09 64.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -175.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -66.34 -16.29 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -92.79 -4.63 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.241 -174.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -104.3 148.16 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -172.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 258' ' ' THR . . . . . . . . . . . . . 98.6 m -148.82 140.04 23.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 169.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 259' ' ' CYS . . . . . . . . . . . . . 42.3 t -111.5 141.9 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.218 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 260' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.52 144.78 48.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.51 114.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -109.25 133.01 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -172.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 263' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.28 160.23 33.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 173.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 264' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -90.46 -18.11 25.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.293 171.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -87.49 -6.23 77.77 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.96 148.62 40.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 0.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 267' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.08 -15.59 25.81 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.668 1.578 . . . . 0.0 111.211 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -155.09 150.75 21.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.5 162.49 39.89 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.684 1.589 . . . . 0.0 111.153 173.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.77 143.8 39.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 173.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 271' ' ' THR . . . . . . . . . . . . . 86.7 m -117.34 135.02 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 272' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 272' ' ' LEU . 3.9 mp -118.69 138.64 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -141.77 165.26 27.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 274' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ILE . . . . . 0.7 HG13 ' O ' ' B' ' 1' ' ' ILE . 49.1 pt . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.7 0.286 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.578 ' O ' HD12 ' B' ' 2' ' ' LEU . 3.2 pp -56.95 162.62 2.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.007 0.432 . . . . 0.0 111.108 -177.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -85.51 -176.21 5.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -162.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 92.1 m -100.96 132.87 46.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 173.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.45 112.32 0.67 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.63 -137.35 9.67 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -67.2 81.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.31 . . . . 0.0 111.212 176.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -106.1 12.06 30.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -77.24 133.13 38.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.227 -176.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 . . . . . 0 C--O 1.203 -1.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.301 175.463 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.761 0.315 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 pt -117.88 161.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.297 175.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -132.14 155.38 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -132.05 145.53 51.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 65.5 m -95.37 132.76 27.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.03 148.68 76.2 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.768 1.645 . . . . 0.0 111.155 -176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.65 145.37 26.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 161.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.21 119.78 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -176.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -121.17 121.25 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 175.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.75 125.33 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -160.38 172.31 17.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -169.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -116.61 156.63 26.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 170.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -64.87 -24.47 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -175.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -143.69 156.32 59.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 171.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -51.4 137.17 48.03 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.797 1.665 . . . . 0.0 111.159 -176.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.41 143.05 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 -172.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -148.52 130.16 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 170.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.05 118.87 5.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -170.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.99 75.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 173.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.67 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.726 0.298 . . . . 0.0 111.319 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 68.6 m -46.11 137.34 6.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -174.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -147.92 170.08 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -120.76 129.3 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 68' ' ' TYR . 57.5 tp -90.28 118.54 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -105.09 144.09 32.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -176.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -131.89 107.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 164.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -99.57 117.48 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.249 -175.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -120.71 122.56 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 95.4 p -146.91 156.85 43.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -170.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.28 27.85 19.26 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 165.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -118.6 160.58 21.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 -174.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 33' ' ' PRO . 49.1 t-80 -168.2 129.38 1.15 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -178.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' C' ' 32' ' ' HIS . 94.7 Cg_endo -88.94 -157.01 0.96 Allowed 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.73 -2.196 . . . . 0.0 111.165 12.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -73.98 -7.38 52.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -170.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -70.43 85.56 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -173.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -138.85 146.86 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -173.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -119.24 127.44 53.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -129.24 123.75 58.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.05 147.42 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.265 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.77 142.35 28.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 174.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 77.0 mt -113.51 147.52 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.283 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.91 115.99 20.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 161.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 53.58 34.67 19.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -173.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -12.78 68.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.83 141.78 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.11 136.55 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.77 124.36 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 170.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -81.37 -38.0 27.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -175.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -85.02 71.38 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -174.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.38 136.41 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.199 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.06 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -153.04 162.47 41.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 65.6 p -82.32 171.05 14.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.246 173.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.183 171.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.89 131.24 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -134.33 174.47 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -140.02 158.55 43.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 28.1 t -103.8 -167.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 -172.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.31 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -88.85 10.85 19.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 64.3 m95 69.98 9.39 7.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.254 171.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 60.0 p -78.27 149.58 33.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -94.66 150.91 19.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 -176.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.26 152.27 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.154 172.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.534 ' N ' HD23 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -158.98 156.66 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 172.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 tp -110.66 133.76 53.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -109.51 146.68 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 163.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 52.3 p90 -155.11 153.68 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 -178.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 14.4 t -151.41 154.41 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 170.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -82.86 137.71 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -152.55 170.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -109.94 114.36 56.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.231 172.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.51 137.37 72.65 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.698 1.599 . . . . 0.0 111.245 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . 0.404 HG23 ' H ' ' C' ' 77' ' ' ASP . 14.0 t -142.74 -175.3 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -111.53 -12.68 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.31 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -86.53 -49.76 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.243 -177.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 77' ' ' ASP . . . . . 0.404 ' H ' HG23 ' C' ' 74' ' ' THR . 80.4 m-20 -89.69 147.77 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 -172.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 78' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -110.97 148.01 33.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.02 152.83 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.49 176.71 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.89 137.45 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 174.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -116.94 131.78 56.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.84 131.02 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -177.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 84' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -112.74 144.04 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 174.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 85' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -159.26 155.28 26.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.283 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.75 -18.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -171.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 78.6 p -90.73 -0.22 57.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.1 110.43 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -67.66 -18.61 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -142.86 134.93 13.22 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 91' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -50.98 134.11 41.83 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.678 1.585 . . . . 0.0 111.112 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -92.41 128.8 38.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.134 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 86.2 mt -124.77 125.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 97.4 t -119.05 131.29 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.199 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -81.6 142.73 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.235 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 96' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -67.42 129.02 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.211 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 97' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -101.39 113.84 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.248 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.4 -28.93 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.243 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 99' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.13 18.3 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -172.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 100' ' ' MET . . . . . . . . . . . . . 60.1 ttm . . . . . 0 C--O 1.198 -1.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 176.575 . . . . . . . . 0 0 . 1 stop_ save_